1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-(2-methoxybenzoyl)piperidine

• ChemBase ID: 703614
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N1CC(C(=O)c2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1C(=O)C1CCCN(C1)C(=O)c1c(C)nc2n1ccc(c2)C
• InChI: InChI=1S/C23H25N3O3/c1-15-10-12-26-20(13-15)24-16(2)21(26)23(28)25-11-6-7-17(14-25)22(27)18-8-4-5-9-19(18)29-3/h4-5,8-10,12-13,17H,6-7,11,14H2,1-3H3
• InChIKey: RYURXRFQPYBSJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-(2-methoxybenzoyl)piperidine
• IUPAC Traditional name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-(2-methoxybenzoyl)piperidine
• Synonyms: {1-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]piperidin-3-yl}(2-methoxyphenyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.920349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3770986
• LogD (pH = 7.4): 2.446948
• Log P: 2.4479203
• Molar Refractivity: 112.8266 cm^3
• Polarizability: 42.145184 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.32
• LOG S: -4.89
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4